B21XNZ
-OEChem-04022117353D
49 50 0 1 0 0 0 0 0999 V2000
-4.3492 1.8992 0.8032 F 0 0 0 0 0 0 0 0 0 0 0 0
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1.9485 -1.8943 -0.1455 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7380 -0.4915 0.3404 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.4136 1.8127 -1.6779 N 0 0 0 0 0 0 0 0 0 0 0 0
0.4702 2.2724 -0.2113 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9909 0.7410 0.2520 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5844 2.2008 -1.2650 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0382 2.0461 1.1970 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4287 0.9318 -1.1589 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8813 0.7766 1.3059 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6684 1.2976 -0.5250 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.6296 1.1084 0.6631 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1599 -0.3511 0.6653 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1416 -1.7413 0.1292 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7779 0.1732 0.3685 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0031 -0.2114 -0.5853 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0304 -2.9540 0.2499 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0929 0.6298 0.4569 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5217 -1.1494 0.0075 C 0 0 0 0 0 0 0 0 0 0 0 0
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-5.1518 -0.2364 0.1843 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8955 -1.5590 -0.1768 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0639 3.2944 -0.2240 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6675 1.5831 0.4503 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1962 2.2993 -2.2836 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2481 3.0642 -1.1201 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7012 2.8950 1.4204 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2833 2.0886 1.9865 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2582 0.9986 -1.8745 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8296 0.0783 -1.4880 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2167 -0.0893 1.2346 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 0.7290 2.3068 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2605 0.3205 -0.8031 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1166 0.6591 1.5209 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0061 2.0835 0.9982 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1625 1.1694 -1.9297 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8112 1.8612 -2.4971 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3000 0.5133 1.3246 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5040 -1.2180 1.2356 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8678 -1.0521 -1.2714 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7418 0.7013 -1.1311 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0640 -0.1528 -0.3228 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3470 -3.0865 1.2877 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4632 -3.8432 -0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8961 -2.8831 -0.4099 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5043 -1.5253 -0.0556 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1755 0.1193 0.2532 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7196 -2.2336 -0.3892 H 0 0 0 0 0 0 0 0 0 0 0 0
1 19 1 0 0 0 0
2 21 1 0 0 0 0
3 15 2 0 0 0 0
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13 16 1 0 0 0 0
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15 18 1 0 0 0 0
16 19 2 0 0 0 0
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18 46 1 0 0 0 0
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20 21 2 0 0 0 0
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22 23 2 0 0 0 0
22 48 1 0 0 0 0
23 49 1 0 0 0 0
M END
$$$$